Pyruvic aldehyde dimethyl acetal (HCID 80650)

이름 및 식별자

우선 이름: Pyruvic aldehyde dimethyl acetal
IUPAC: 1,1-dimethoxypropan-2-one
영어명: Methylglyoxal 1,1-dimethyl acetal
분자식: C5H10O3
분자량: 118.13

이름 및 동의어

6342-56-91,1-DimethoxyacetonePyruvic aldehyde dimethyl acetal1,1-Dimethoxy-2-propanone2-Propanone, 1,1-dimethoxy-Methylglyoxal dimethyl acetalDimethoxymethyl methyl ketonePyruvaldehyde dimethyl acetalAI3-37790NSC-501273772KY264DDTXSID6064244

이름 더 보기

2,2-DiMethoxypropanalPyruvic aLPyruvaldehyde 11,1-DimethoxyacetonMethylglyoxal 1,1-di

RefChem:818615DTXCID1043839228-735-41,1-dimethoxypropan-2-oneMethylglyoxal 1,1-dimethyl acetal1,1-Dimethoxy acetonePyruvaldehyde, 1-(dimethyl acetal)MFCD00008758

데이터베이스 식별자

CAS: 6342-56-9
PubChem CID: 80650
DTXSID: DTXSID6064244
UNII: 3772KY264D
EC Number: 228-735-4
Nikkaji: J206.945H

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 75.7

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Acetals

Vapor Pressure8.48 [mmHg]

Physical DescriptionClear dark yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -57 °C · -57 °C
끓는 점: 143 · 143-147 °C(lit.)
밀도: 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
증기압: 11 hPa · 11hPa at 20℃
굴절률: 20 · n20/D 1.398(lit.)
인화점: 100 °F · 100 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
색상: 무색~황색으로 투명함
수용성: 혼용 가능
BRN: 1560557 · 1560557
InChI: 1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3
InChIKey: ULVSHNOGEVXRDR-UHFFFAOYSA-N
SMILES: COC(OC)C(C)=O
LogP: -0.199 · -0.199 (est)
NIST: 2 · 2-Propanone, 1,1-dimethoxy-(6342-56-9)
EPA: 2 · 2-Propanone, 1,1-dimethoxy- (6342-56-9)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propanone, 1,1-dimethoxy-

Status: Active Update: 05-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16767

Pyruvaldehyde 1,1-dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Methyl propyl ketone.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 1224 3/PG 3
HS 번호: 29145000
risk_code: 10-36/38
hazard_code: Xi
safety_code: 26-36-16
포장분류: III
위험 등급: 3
기존화학 물질: KE-11096
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Propanone, 1,1-dimethoxy-: ACTIVE

응용 분야 · 1건

용도Methylglyoxal 1,1-dimethyl acetal was used in the synthesis of methylglyoxal via hydrolysis in the presence of H2SO4. It was used to investigate the effects of methylglyoxal-mediated glycation on the structure, thermal stability and enzyme activity of yeast enolase in vivo.